Mol:FL1CA9NP0006
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
25 27 0 0 0 0 0 0 0 0999 V2000
1.4185 -0.0169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4185 -0.6592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9748 -0.9804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5311 -0.6592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5311 -0.0169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9748 0.3043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2853 -0.6386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8416 -0.9598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2708 -0.9597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8318 -0.6261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2708 -1.6004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8318 0.0121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3844 0.3311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9371 0.0121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9371 -0.6261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3844 -0.9451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3844 -1.5831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2793 0.3311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5311 0.2452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4896 -0.9451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3844 0.9691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2793 0.9691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8318 1.2881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0853 1.6004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3872 0.9691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 1 2 0 0 0 0
7 8 2 0 0 0 0
7 9 1 0 0 0 0
9 10 1 0 0 0 0
9 11 2 0 0 0 0
2 8 1 0 0 0 0
10 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 10 1 0 0 0 0
16 17 1 0 0 0 0
12 18 1 0 0 0 0
19 14 1 0 0 0 0
15 20 1 0 0 0 0
13 21 1 0 0 0 0
18 22 1 0 0 0 0
22 23 1 0 0 0 0
23 21 2 0 0 0 0
22 24 1 0 0 0 0
22 25 1 0 0 0 0
S SKP 8
ID FL1CA9NP0006
KNApSAcK_ID C00007120
NAME 2',4'-Dihydroxy-3',6'',6''-trimethylpyrano[2'',3'':6',5']chalcone
CAS_RN 20890-68-0
FORMULA C21H20O4
EXACTMASS 336.136159128
AVERAGEMASS 336.38109999999995
SMILES c(c23)(OC(C=C3)(C)C)c(c(c(c(O)2)C)O)C(=O)C=Cc(c1)cccc1
M END
